Acetoacetyl Coenzyme A Sodium Hydrate (>90%)

CAS: 1420-36-6

Ref. TR-A161840

Product Information

• Name: Acetoacetyl Coenzyme A Sodium Hydrate (>90%)
• Synonyms: sodium;S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] 3-oxobutanethioate;hydrate
• Brand: TRC
• Description: Applications Acetoacetyl-CoA is a derivative of CoA (C636400). In the mevalonate pathway, Acetoacetyl-CoA is a precursor of HMG-CoA (H456365), and a precursor of poly-beta-hydroxybutyrate.References Okamura, E., et al.: Proc. Natl. Acad. Sci. U. S. A., 107, 11265 (2010)

Chemical properties

• Molecular weight: 851.61 + x(18.02) + x(22.99)
• Formula: C₂₅H₄₀N₇O₁₈P₃S·xNa·xH₂O
• Purity: >90%
• Color/Form: Neat
• InChI: InChI=1S/C25H40N7O18P3S.Na.H2O/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32;;/h11-12,14,18-20,24,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41);;1H2/q;+1;/t14-,18-,19-,20+,24-;;/m1../s1
• InChI key: InChIKey=OJFDKHTZOUZBOS-CITAKDKDSA-N
• SMILES: CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O